ChemSpider 2D Image | (8S)-3-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-alpha-D-erythro-pentofuranosyl]-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol | C27H28N4O6

(8S)-3-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-α-D-erythro-pentofuranosyl]-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

  • Molecular FormulaC27H28N4O6
  • Average mass504.534 Da
  • Monoisotopic mass504.200897 Da
  • ChemSpider ID24736005

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8S)-3-[2-Deoxy-3,5-bis-O-(4-methylbenzoyl)-α-D-erythro-pentofuranosyl]-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol [ACD/IUPAC Name]
(8S)-3-[2-Desoxy-3,5-bis-O-(4-methylbenzoyl)-α-D-erythro-pentofuranosyl]-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol [German] [ACD/IUPAC Name]
(8S)-3-[2-Désoxy-3,5-bis-O-(4-méthylbenzoyl)-α-D-érythro-pentofuranosyl]-3,4,7,8-tétrahydroimidazo[4,5-d][1,3]diazépin-8-ol [French] [ACD/IUPAC Name]
Imidazo[4,5-d][1,3]diazepin-8-ol, 3-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)-α-D-erythro-pentofuranosyl]-3,6,7,8-tetrahydro-, (8S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 747.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.8±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 11.15
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.56
ACD/KOC (pH 7.4): 22.62
Polar Surface Area: 124 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 358.6±7.0 cm3

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